Basic information
- Standard SMILES
CC(=O)c1cccc(Oc2ncccc2C(=O)NCc2ccc([C@H](C)O)cc2)c1- InChIKey
XXKHIERGCLWKBC-HNNXBMFYSA-N- Molecular formula
- C23H22N2O4
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- (S)-(-)-2-(3-Acetyl-phenoxy)-N-(4-(1-hydroxy-ethyl)-benzyl)-nicotinamide
- IUPAC
- 2-(3-acetylphenoxy)-N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL7365059XXKHIERGCLWKBC-HNNXBMFYSA-N(S)-(-)-2-(3-Acetyl-phenoxy)-N-(4-(1-hydroxy-ethyl)-benzyl)-nicotinamide
Database identifiers
- PubChem CID
- 54493464
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 547
Related reactions
1 records
Compound notes
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